N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide

C18H17FN2O3 — CID 95568995

IUPACN-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide
SMILESCc1ccc2c(c1C)OC[C@@H]2NC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H17FN2O3/c1-10-6-7-14-15(9-24-16(14)11(10)2)21-18(23)17(22)20-13-5-3-4-12(19)8-13/h3-8,15H,9H2,1-2H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyGOVIKRSVLLYHBT-HNNXBMFYSA-N
MW328.34 g/mol
LogP2.63
Rot. Bonds2

About N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide

N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide (PubChem CID 95568995) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide
PubChem CID95568995
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide
SMILESCc1ccc2c(c1C)OC[C@@H]2NC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H17FN2O3/c1-10-6-7-14-15(9-24-16(14)11(10)2)21-18(23)17(22)20-13-5-3-4-12(19)8-13/h3-8,15H,9H2,1-2H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyGOVIKRSVLLYHBT-HNNXBMFYSA-N
XLogP2.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide
CID 108531930
N'-(5-chloro-2-methylphenyl)-N-(3-fluorophenyl)oxamide
CID 108511843
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141714
N'-(2,6-difluorophenyl)-N-(3-fluorophenyl)oxamide
CID 108522116
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
CID 111840919
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
CID 110866586
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680044
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide?
The IUPAC name of N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide (CID 95568995) is N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide.
What is the SMILES notation for N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide?
The canonical SMILES for N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide is Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide?
The InChIKey is GOVIKRSVLLYHBT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-10-6-7-14-15(9-24-16(14)11(10)2)21-18(23)17(22)20-13-5-3-4-12(19)8-13/h3-8,15H,9H2,1-2H3,(H,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide?
N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide has a molecular weight of 328.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide is sourced from PubChem (CID 95568995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).